SCHEMBL2102219

SCHEMBL2102219

CC1(C)C(=O)NC(=O)c2cc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
PDK4 Q16654 2/20 0.39
TDP2 O95551 3/20 0.38
PDK1 Q15118 1/20 0.37
PDK3 Q15120 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK14 Q16539 1/20 0.36
CHEK1 O14757 2/20 0.35
PTPRC P08575 2/20 0.35
APAF1 O14727 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22745703 0.79 TDP2 (0.45) PDK2PDK4TDP2PDK1PDK3
SCHEMBL17528668 0.78 PDK2 (0.42) PDK2TDP2MEN1KMT2ANPC1
SCHEMBL496554 0.78 PDK2 (0.55) PDK2PDK4MEN1KMT2ATDP1
SCHEMBL30539488 0.78 PDK2 (0.55) PDK2PDK4MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL7276702 0.76 PDK2 (0.53) PDK2PDK4MEN1KMT2ATDP1
SCHEMBL2144444 0.76 NPC1 (0.37) PDK2TDP2MEN1KMT2ANPC1
SCHEMBL5823105 0.75 CYP3A4 (0.60) TDP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30539489 0.75 CYP3A4 (0.60) TDP2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL520415 0.74 PDK2 (0.55) PDK2PDK4
SCHEMBL10546716 0.73 KDM4E (0.45) PDK1MEN1KMT2AALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020063636-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG 苏州锐明新药研发有限公司 2020-04-02 WO disclosed
EP-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP disclosed
US-6770639-B2 CELL PROLIFERATIVE; AUTOIMMUNE DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-04 US disclosed
US-6506769-B2 Pyridine -imidazole, -thiazole or -oxazole derivatives; treating autoimmune diseases, chronic inflammatory diseases, allergic diseases, transplant rejection and cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
WO-2002102416-A2 ANTIVIRAL GLYCOCONJUGATES STEINBEIS GMBH & CO. Für TECHNOLOGIETRANSFER (DE) 2002-12-27 WO disclosed
EP-1222187-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-07-17 EP disclosed
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-07 US disclosed
WO-2001025238-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-04-12 WO disclosed
EP-0243808-B1 Isoquinolinediones, process for their preparation, and medicaments containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-07-13 EP disclosed
US-4824835-A Isoquinolinedione derivatives, pharmaceutical compositions and methods of use BOEHRINGER MANNHEIM GMBH (DE) 1989-04-25 US disclosed
EP-0243808-A2 Isoquinolinediones, process for their preparation, and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1987-11-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 PDK2 775/4885PDK4 1468/4885TDP2 3851/4885
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 PDK2 775/4885PDK4 1468/4885TDP2 3851/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.